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Compound Detail

CHEMBL4585668

BELZUTIFAN
💊 Approved Drug
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💊 Approved Drug
CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)[C@H](F)[C@@H]2F

Basic Information

ChEMBL ID CHEMBL4585668
Name BELZUTIFAN
Phase Approved
Structure Type MOL
InChI Key LOMMPXLFBTZENJ-ZACQAIPSSA-N
Therapeutic ✓ Yes

Known Names

Belzutifan Mk-6482 MK6482 Pt 2977 PT-2977 Pt2977 Welireg
3
Targets
8
Activities
2
Assay Types
26
PK Parameters
20
Publications
7
Known Names
9
Indications
1
Mechanisms

Molecular Properties

383.4
MW (Da)
3.29
ALogP
5
HBA
1
HBD
87.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2021
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Black Box Warning First in Class
USAN Stem -ifan
USAN Year 2020

Extended Properties

Molecular Formula C17H12F3NO4S
MW 383.35
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.89

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Endothelial PAS domain-containing protein 1 inhibitor INHIBITOR Endothelial PAS domain-containing protein 1

Indications

Carcinoma, Renal Cell Carcinoma, Renal Cell Carcinoma, Renal Cell Hemangioblastoma Neoplasms Neuroendocrine Tumors von Hippel-Lindau Disease Liver Diseases Renal Insufficiency, Chronic

ATC Classification

L01XX74
belzutifan
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Drug Warnings

Black Box Warning
cardiotoxicity
Country: United States
Black Box Warning
teratogenicity
Country: United States

Activity Summary

EC50 5 meas. best 7.96
IC50 3 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
IC50 8.05 8.025 9.0 2
Endothelial PAS domain-containing protein 1
CHEMBL1744522
EC50 7.96 7.865 11.0 2
Vascular endothelial growth factor A, long form
CHEMBL1783
EC50 7.75 7.75 18.0 3
Unchecked
CHEMBL612545
IC50 5.05 5.05 9000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 2100.0 ng.hr.mL-1 Homo sapiens
AUC 7100.0 ng.hr.mL-1 Homo sapiens
AUC 17500.0 ng.hr.mL-1 Homo sapiens
AUC 25900.0 ng.hr.mL-1 Homo sapiens
AUC 21000.0 ng.hr.mL-1 Homo sapiens
AUC 28000.0 ng.hr.mL-1 Homo sapiens
CL 21.0 mL.min-1.kg-1 Mus musculus
CL 19.0 mL.min-1.kg-1 Rattus norvegicus
CL 1.3 mL.min-1.kg-1 Canis lupus familiaris
CL 3.5 mL.min-1.kg-1 Macaca mulatta
Cmax 521.72 nM Homo sapiens
Cmax 1304.29 nM Homo sapiens
Cmax 3652.02 nM Homo sapiens
Cmax 4695.45 nM Homo sapiens
Cmax 5217.16 nM Homo sapiens
Cmax 7043.17 nM Homo sapiens
T1/2 4.0 hr Mus musculus
T1/2 1.4 hr Rattus norvegicus
T1/2 14.0 hr Canis lupus familiaris
T1/2 9.2 hr Macaca mulatta
T1/2 12.5 hr Homo sapiens
T1/2 18.8 hr Homo sapiens
T1/2 15.4 hr Homo sapiens
T1/2 20.9 hr Homo sapiens
T1/2 12.2 hr Homo sapiens
T1/2 14.1 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31282155 10.1021/acs.jmedchem.9b00719 ADMET 63
31282155 10.1021/acs.jmedchem.9b00719 Endothelial PAS domain-containing protein 1 6
31282155 10.1021/acs.jmedchem.9b00719 UDP-glucuronosyltransferase 2B17 4
31282155 10.1021/acs.jmedchem.9b00719 Unchecked 3
31282155 10.1021/acs.jmedchem.9b00719 cGMP-dependent protein kinase 1 2
31282155 10.1021/acs.jmedchem.9b00719 Protein kinase C beta type 2
31282155 10.1021/acs.jmedchem.9b00719 Mitogen-activated protein kinase 1 2
31282155 10.1021/acs.jmedchem.9b00719 Mus musculus 2
31282155 10.1021/acs.jmedchem.9b00719 Voltage-gated inwardly rectifying potassium channel KCNH2 2
31282155 10.1021/acs.jmedchem.9b00719 Cytochrome P450 3A4 2
31282155 10.1021/acs.jmedchem.9b00719 Cyclin-dependent kinase 5/CDK5 activator 1 2
31282155 10.1021/acs.jmedchem.9b00719 Vasoactive intestinal polypeptide receptor 1 2
31282155 10.1021/acs.jmedchem.9b00719 Cytochrome P450 2D6 1
31282155 10.1021/acs.jmedchem.9b00719 Cytochrome P450 2C9 1
31282155 10.1021/acs.jmedchem.9b00719 786-0 1
31282155 10.1021/acs.jmedchem.9b00719 Homo sapiens 1
- 10.6019/CHEMBL5724796 Bromodomain-containing protein 4 1
31282155 10.1021/acs.jmedchem.9b00719 Tyrosine-protein phosphatase non-receptor type 1 1
31282155 10.1021/acs.jmedchem.9b00719 Cytochrome P450 2B6 1
31282155 10.1021/acs.jmedchem.9b00719 Cytochrome P450 1A2 1

Data from ChEMBL 36 via Core Engine